2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C20H23N5O4S3 MolecularWeight: 493.62272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC(=C4C=CSC4=N3)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NC(=C4C=CSC4=N3)N

InChI

InChI=1S/C20H23N5O4S3/c1-29-16-6-5-13(32(27,28)25-8-3-2-4-9-25)11-15(16)22-17(26)12-31-20-23-18(21)14-7-10-30-19(14)24-20/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,22,26)(H2,21,23,24)